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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > alkaloid > harmala alkaloid > cyclobutyl-[(1s)-1-(hydroxymethyl)-7-methoxy-2-[oxo(pyridin-4-yl)methyl]-1'-spiro[3,9-dihydro-1h-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanone
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > organic tricyclic compound > organic heterotricyclic compound > pyridoindole > beta-carbolines > harmala alkaloid > cyclobutyl-[(1s)-1-(hydroxymethyl)-7-methoxy-2-[oxo(pyridin-4-yl)methyl]-1'-spiro[3,9-dihydro-1h-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > organic tricyclic compound > organic heterotricyclic compound > pyridoindole > beta-carbolines > harmala alkaloid > cyclobutyl-[(1s)-1-(hydroxymethyl)-7-methoxy-2-[oxo(pyridin-4-yl)methyl]-1'-spiro[3,9-dihydro-1h-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanone
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > organic tricyclic compound > organic heterotricyclic compound > pyridoindole > beta-carbolines > harmala alkaloid > cyclobutyl-[(1s)-1-(hydroxymethyl)-7-methoxy-2-[oxo(pyridin-4-yl)methyl]-1'-spiro[3,9-dihydro-1h-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanone
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterotricyclic compound > pyridoindole > beta-carbolines > harmala alkaloid > cyclobutyl-[(1s)-1-(hydroxymethyl)-7-methoxy-2-[oxo(pyridin-4-yl)methyl]-1'-spiro[3,9-dihydro-1h-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterotricyclic compound > pyridoindole > beta-carbolines > harmala alkaloid > cyclobutyl-[(1s)-1-(hydroxymethyl)-7-methoxy-2-[oxo(pyridin-4-yl)methyl]-1'-spiro[3,9-dihydro-1h-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > pyridoindole > beta-carbolines > harmala alkaloid > cyclobutyl-[(1s)-1-(hydroxymethyl)-7-methoxy-2-[oxo(pyridin-4-yl)methyl]-1'-spiro[3,9-dihydro-1h-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanone
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > pyridoindole > beta-carbolines > harmala alkaloid > cyclobutyl-[(1s)-1-(hydroxymethyl)-7-methoxy-2-[oxo(pyridin-4-yl)methyl]-1'-spiro[3,9-dihydro-1h-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > pyridoindole > beta-carbolines > harmala alkaloid > cyclobutyl-[(1s)-1-(hydroxymethyl)-7-methoxy-2-[oxo(pyridin-4-yl)methyl]-1'-spiro[3,9-dihydro-1h-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanone

Preferred term

cyclobutyl-[(1s)-1-(hydroxymethyl)-7-methoxy-2-[oxo(pyridin-4-yl)methyl]-1'-spiro[3,9-dihydro-1h-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanone  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C28H32N4O4

inchi

  • InChI=1S/C28H32N4O4/c1-36-20-5-6-21-22(15-20)30-25-23(16-33)32(27(35)19-7-11-29-12-8-19)17-28(24(21)25)9-13-31(14-10-28)26(34)18-3-2-4-18/h5-8,11-12,15,18,23,30,33H,2-4,9-10,13-14,16-17H2,1H3/t23-/m1/s1

inchikey

  • LGMCNRXMUXGMTC-HSZRJFAPSA-N

mass

  • 488.579

monoisotopicmass

  • 488.24236

smiles

  • COC1=CC2=C(C=C1)C3=C(N2)[C@H](N(CC34CCN(CC4)C(=O)C5CCC5)C(=O)C6=CC=NC=C6)CO

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:127519

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